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CS-W001157 4
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1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-3-amine

  • CAS No. 66000-41-7

  • Cat. No. CS-0233258
  • Molecule weight227.19
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-3-amine|CS-0233258

Structure of 66000-41-7

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General Information

  • CAS No. 66000-41-7
  • Cat. No. CS-0233258
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈F₃N₃
  • Molecular Weight 227.19
  • Synonym(s) 1-(3-(trifluoromethyl)phenyl)-3-amino-1H-pyrazole
  • SMILES NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1

Synthesis

  • Route1
    • null|null
      1354722-12-5
    • ~98%
    • 1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-3-amine|CS-0233258
      66000-41-7

    References

    • ARDELYX, INC.; LEWIS, Jason, G.; JACOBS, Jeffrey, W.; REICH, Nicholas; LEADBETTER, Michael, R.; BELL, Noah; CHANG, Han-Ting; CHEN, Tao; NAVRE, Marc; CHARMOT, Dominique; CARRERAS, Christopher; LABONTE, Eric Patent: WO2012/6473 A1, 2012 ; Location in patent: Page/Page column 70 ; WO 2012/006473 A1
  • Route2
    • BW 755C|CS-0077798
      66000-40-6
    • ~%
    • 1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-3-amine|CS-0233258
      66000-41-7

    References

    • GLENMARK PHARMACEUTICALS S.A.; KUMAR, Sukkeerthi; THOMAS, Abraham; WAGHMARE, Nayan, Taterao; KHAIRATKAR-JOSHI, Neelima; MUKHOPADHYAY, Indranil Patent: WO2011/132017 A1, 2011 ; Location in patent: Page/Page column 24-25 ; WO 2011/132017 A1
  • Route3

    References

    • ARDELYX, INC.; LEWIS, Jason, G.; JACOBS, Jeffrey, W.; REICH, Nicholas; LEADBETTER, Michael, R.; BELL, Noah; CHANG, Han-Ting; CHEN, Tao; NAVRE, Marc; CHARMOT, Dominique; CARRERAS, Christopher; LABONTE, Eric Patent: WO2012/6473 A1, 2012 ; WO 2012/006473 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.84
  • LogP   2.4733
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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